⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL14498529 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL28931785 | 0.95 | — | — | |
| SCHEMBL1338275 | 0.74 | — | — | |
| SCHEMBL7938056 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL30537661 | 0.70 | — | — | |
| SCHEMBL6661985 | 0.70 | — | — | |
| SCHEMBL22166688 | 0.68 | — | — | |
| SCHEMBL20586 | 0.67 | — | — | |
| SCHEMBL14505659 | 0.67 | — | — | |
| SCHEMBL27977434 | 0.67 | ALDH1A1 (0.30) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117019607-A | Method for manufacturing molecular material transducer and array | 东南大学 | 2023-11-10 | — | — | CN | claimed |
| CN-110112289-B | Molecular ferroelectric phase change memory | 东南大学 | 2023-06-06 | — | — | CN | claimed |
| CN-108511597-B | Molecular-based piezoelectric material and preparation method and application thereof | 东南大学 | 2022-02-11 | — | — | CN | claimed |
| CN-117019607-A | Method for manufacturing molecular material transducer and array | 东南大学 | 2023-11-10 | — | — | CN | disclosed |
| CN-113314664-B | Preparation method of perovskite type piezoelectric solid solution | 东南大学 | 2023-08-04 | — | — | CN | disclosed |
| CN-110112289-B | Molecular ferroelectric phase change memory | 东南大学 | 2023-06-06 | — | — | CN | disclosed |
| CN-108511597-B | Molecular-based piezoelectric material and preparation method and application thereof | 东南大学 | 2022-02-11 | — | — | CN | disclosed |
| CN-113314664-A | Preparation method of perovskite type high-voltage solid solution | 东南大学 | 2021-08-27 | — | — | CN | disclosed |
| US-6730485-B2 | DETECTION OF BINDING DOMAIN IN POLYPEPTIDE; OBTAIN POLYPEPTIDE, INCUBATE WITH LIGAND, EXPOSE SPECTRUM ANALYSIS, DETECT BINDING DOMAIN IN PROTEIN | ISIS PHARMACEUTICALS, INC. | 2004-05-04 | — | — | US | disclosed |